N,N-dimethylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 48900
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(N(C)C)C1NCCC1.Cl
• Canonical SMILES: O=C(C1CCCN1)N(C)C.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c1-9(2)7(10)6-4-3-5-8-6;/h6,8H,3-5H2,1-2H3;1H
• InChIKey: LJPOVCMGNNCPFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethylpyrrolidine-2-carboxamide hydrochloride
• Synonyms: N,N-Dimethyl-2-pyrrolidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562148
• PubChem SID: 162053663
• PubChem CID: 21914726

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6637723
• LogD (pH = 7.4): -2.815787
• Log P: -0.4567319
• Molar Refractivity: 39.6799 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false